Vitas-M small molecule compound
7-{[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL405688
SMILES Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(Cn1nc(c(c1C)Cl)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H23ClN6O4S3 MW 543.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN6O4S3/c1-8(5-26-10(3)13(21)9(2)25-26)16(28)22-14-17(29)27-15(19(30)31)12(6-32-18(14)27)7-33-20-24-23-11(4)34-20/h8,14,18H,5-7H2,1-4H3,(H,22,28)(H,30,31)InChIKey
AOCKKLGPVFUIDD-UHFFFAOYSA-NSynonyms
1214207-64-31214207643
7((3(4chloro35dimethyl1Hpyrazol1yl)2methylpropanoyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((3(4CHLORO35DIMETHYLPYRAZOL1YL)2METHYLPROPANOYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C(=NN1CC(C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)C)Cl
InChI=1SC20H23ClN6O4S3c18(52610(3)13(21)9(2)2526)16(28)221417(29)2715(19(30)31)12(63218(14)27)73320242311(4)3420h81418H57H214H3(H2228)(H3031)
MFCD04138106
ZINC000002809588
ZINC000169679672
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